Chem
J-GLOBAL ID：200907021412230059   Nikkaji number：J196.191H

β-Homocyclocitral

β-ホモシクロシトラール
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C11H18O
Molecular formula furigana： C11-H18-O
Molecular weight： 166.264
InChI： InChI=1S/C11H18O/c1-9-5-4-7-11(2,3)10(9)6-8-12/h8H,4-7H2,1-3H3
InChI key： VHTFHZGAMYUZEP-UHFFFAOYSA-N
SMILES： CC1=C(CC=O)C(C)(C)CCC1
Systematic name  (5)：
  • 2-(2,6,6-トリメチル-1-シクロヘキセニル)アセトアルデヒド
  • 2,6,6-トリメチル-1-シクロヘキセン-1-アセトアルデヒド
  • 2,6,6-トリメチルシクロヘキセン-1-アセトアルデヒド
  • 2-(2,6,6-トリメチルシクロヘキサ-1-エン-1-イル)アセトアルデヒド
  • 2-(2,6,6-trimethylcyclohex-1-en-1-yl)acetaldehyde
Other name (4)：
  • β-ホモシクロシトラール
  • β-Homocyclocitral
  • 2,6,6-Trimethyl-1-cyclohexene-1-acetaldehyde
  • 2,6,6-Trimethylcyclohexene-1-acetaldehyde
CAS registry number： 472-66-2
Regulation number (2)：
  • EINECS2074540
  • TSCA(472-66-2)
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